3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

C28H29N5O3 — CID 166627769

IUPAC3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCN1CCN(c2ccc(-c3n[nH]c4cc(-c5ccc(O)cc5)ccc34)cc2)CC1
InChIInChI=1S/C28H29N5O3/c34-24-8-3-20(4-9-24)22-5-10-25-26(19-22)29-30-27(25)21-1-6-23(7-2-21)32-14-11-31(12-15-32)13-16-33-17-18-36-28(33)35/h1-10,19,34H,11-18H2,(H,29,30)
InChIKeyPCSUKDRXNKOZEL-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.18
Rot. Bonds6

About 3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 166627769) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID166627769
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCN1CCN(c2ccc(-c3n[nH]c4cc(-c5ccc(O)cc5)ccc34)cc2)CC1
InChIInChI=1S/C28H29N5O3/c34-24-8-3-20(4-9-24)22-5-10-25-26(19-22)29-30-27(25)21-1-6-23(7-2-21)32-14-11-31(12-15-32)13-16-33-17-18-36-28(33)35/h1-10,19,34H,11-18H2,(H,29,30)
InChIKeyPCSUKDRXNKOZEL-UHFFFAOYSA-N
XLogP4.18
TPSA84.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 166627769) is 3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCN1CCN(c2ccc(-c3n[nH]c4cc(-c5ccc(O)cc5)ccc34)cc2)CC1.
What is the InChIKey of 3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is PCSUKDRXNKOZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c34-24-8-3-20(4-9-24)22-5-10-25-26(19-22)29-30-27(25)21-1-6-23(7-2-21)32-14-11-31(12-15-32)13-16-33-17-18-36-28(33)35/h1-10,19,34H,11-18H2,(H,29,30).
What are the key properties of 3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 483.57 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[4-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 166627769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).